#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fd8 s ALA 2 N 0.00 -1.59 0.27 3.04 0.00 -1.26 -5.17 121.76 117.05 1fd8 s ALA 2 Ca 0.00 0.76 0.04 0.00 0.00 0.00 0.00 51.96 52.75 1fd8 s ALA 2 Cb 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 1fd8 s ALA 2 CO 0.00 -0.59 0.41 -1.21 0.00 0.00 0.00 175.76 174.37 1fd8 s GLU 3 N -2.72 3.45 -0.23 0.00 2.02 -1.26 -4.98 118.70 114.99 1fd8 s GLU 3 Ca -0.04 -0.64 -0.26 0.00 0.02 0.00 0.00 54.97 54.05 1fd8 s GLU 3 Cb -0.01 -2.83 -0.00 0.00 0.10 0.00 0.00 34.13 31.40 1fd8 s GLU 3 CO -0.04 0.35 0.92 0.42 0.02 0.00 0.00 175.26 176.93 1fd8 s ILE 4 N -2.07 4.78 0.25 -1.63 1.01 -1.26 -4.03 121.20 118.25 1fd8 s ILE 4 Ca 0.36 1.77 0.08 0.00 0.00 0.00 0.00 60.65 62.86 1fd8 s ILE 4 Cb -0.09 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1fd8 s ILE 4 CO 0.31 -0.10 0.07 -0.54 0.00 0.00 0.00 174.94 174.68 1fd8 s LYS 5 N 2.87 2.53 -0.39 2.79 3.01 0.53 -4.83 119.74 126.26 1fd8 s LYS 5 Ca 0.39 -1.26 -0.13 0.00 -1.01 0.00 0.00 55.97 53.96 1fd8 s LYS 5 Cb -0.15 -2.32 0.02 0.00 -1.01 0.00 0.00 37.83 34.37 1fd8 s LYS 5 CO 0.08 0.39 0.25 -1.58 0.51 0.00 0.00 175.35 174.99 1fd8 s HIS 6 N -2.21 3.24 0.13 3.18 5.65 0.70 -0.53 115.29 125.46 1fd8 s HIS 6 Ca 0.32 -0.78 -0.02 0.00 0.25 0.00 0.00 55.06 54.83 1fd8 s HIS 6 Cb -0.07 -2.50 -0.05 0.00 -1.18 0.00 0.00 32.58 28.78 1fd8 s HIS 6 CO 0.22 -0.61 0.33 0.71 -0.65 0.00 0.00 174.74 174.73 1fd8 s TYR 7 N 1.61 3.49 -0.03 3.88 2.02 0.59 0.49 117.35 129.41 1fd8 s TYR 7 Ca 0.03 0.40 0.02 0.00 -0.37 0.00 0.00 57.07 57.16 1fd8 s TYR 7 Cb -0.19 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.49 1fd8 s TYR 7 CO 0.08 0.47 -0.09 -1.14 -1.57 0.00 0.00 175.55 173.31 1fd8 s GLN 8 N -2.78 0.98 0.08 -0.62 0.74 -0.10 -1.17 119.66 116.79 1fd8 s GLN 8 Ca 0.38 -0.29 0.06 0.00 0.05 0.00 0.00 55.36 55.56 1fd8 s GLN 8 Cb -0.12 -0.91 -0.03 0.00 1.10 0.00 0.00 33.01 33.04 1fd8 s GLN 8 CO 0.27 0.09 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.88 1fd8 s PHE 9 N 0.29 1.34 -0.37 1.67 0.08 0.51 -0.27 117.98 121.22 1fd8 s PHE 9 Ca -0.05 -0.46 -0.04 0.00 0.12 0.00 0.00 56.93 56.50 1fd8 s PHE 9 Cb -0.09 -0.75 0.08 0.00 -0.57 0.00 0.00 43.02 41.68 1fd8 s PHE 9 CO 0.01 0.09 0.14 1.21 -0.10 0.00 0.00 175.22 176.57 1fd8 s ASN 10 N -1.80 5.24 0.02 1.36 3.84 0.26 -0.55 114.94 123.29 1fd8 s ASN 10 Ca 0.00 -1.57 0.04 0.00 0.21 0.00 0.00 52.86 51.54 1fd8 s ASN 10 Cb -0.10 -1.83 -0.03 0.00 -0.55 0.00 0.00 41.25 38.74 1fd8 s ASN 10 CO 0.03 -0.43 -0.08 0.54 -2.79 0.00 0.00 177.10 174.37 1fd8 s VAL 11 N 1.27 3.56 -1.18 -5.21 0.11 -1.15 0.11 120.40 117.91 1fd8 s VAL 11 Ca 0.02 -0.86 -0.15 0.00 -2.93 0.00 0.00 61.98 58.06 1fd8 s VAL 11 Cb -0.21 -2.56 -0.06 0.00 -1.53 0.00 0.00 36.38 32.02 1fd8 s VAL 11 CO -0.01 0.36 2.23 0.52 -3.33 0.00 0.00 175.10 174.87 1fd8 n VAL 12 N 1.45 2.91 -1.86 2.04 0.31 -0.34 -4.52 118.33 118.31 1fd8 n VAL 12 Ca -0.15 -2.23 -0.42 0.00 -0.01 0.00 0.00 64.34 61.53 1fd8 n VAL 12 Cb 0.52 -2.44 -0.00 0.00 -0.91 0.00 0.00 33.84 31.01 1fd8 n VAL 12 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1fd8 n MET 13 N 5.67 3.33 -0.05 5.55 2.81 -1.26 -4.67 117.12 128.49 1fd8 n MET 13 Ca 0.54 -2.88 -0.11 0.00 -1.81 0.00 0.00 57.70 53.45 1fd8 n MET 13 Cb 0.33 -3.07 -0.15 0.00 -0.71 0.00 0.00 33.22 29.62 1fd8 n MET 13 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1fd8 n THR 14 N 4.12 1.55 -3.08 2.03 5.66 -1.26 -4.85 114.28 118.44 1fd8 n THR 14 Ca 0.53 -0.79 -0.36 0.00 -3.05 0.00 0.00 64.05 60.38 1fd8 n THR 14 Cb 0.35 -0.93 -0.06 0.00 -1.55 0.00 0.00 70.33 68.14 1fd8 n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fd8 n SER 16 N 0.57 4.83 0.23 0.00 7.64 -1.26 -3.64 113.62 122.00 1fd8 n SER 16 Ca -0.01 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1fd8 n SER 16 Cb 0.51 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1fd8 n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fd8 n GLY 17 N 3.99 -1.61 0.33 0.23 0.00 -1.26 -4.95 105.19 101.93 1fd8 n GLY 17 Ca 0.54 0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.99 1fd8 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fd8 h SER 19 N 0.63 -0.72 -0.85 0.00 4.64 -1.91 0.29 113.55 115.63 1fd8 h SER 19 Ca 0.56 0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 62.04 1fd8 h SER 19 Cb 0.92 0.39 -0.04 0.00 -0.31 0.00 0.00 62.40 63.36 1fd8 h SER 19 CO -0.42 -0.24 0.53 1.23 -0.87 0.00 0.00 176.83 177.06 1fd8 h GLY 20 N -0.12 1.22 0.81 -0.77 0.00 -1.20 -0.48 103.07 102.52 1fd8 h GLY 20 Ca 0.21 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1fd8 h GLY 20 CO -0.51 0.48 0.02 0.00 0.00 0.00 0.00 176.54 176.53 1fd8 h ALA 21 N 1.29 0.16 -0.03 3.60 0.00 0.61 0.19 119.26 125.08 1fd8 h ALA 21 Ca 0.31 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1fd8 h ALA 21 Cb -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1fd8 h ALA 21 CO -0.06 -0.19 -0.13 0.28 0.00 0.00 0.00 179.25 179.15 1fd8 h VAL 22 N -0.02 0.68 -0.65 0.00 2.07 -0.43 -0.37 116.25 117.53 1fd8 h VAL 22 Ca 0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1fd8 h VAL 22 Cb 0.28 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 1fd8 h VAL 22 CO 0.00 0.00 0.19 -1.13 0.02 0.00 0.00 177.57 176.65 1fd8 h ASN 23 N -0.20 0.11 -0.65 0.57 -1.24 -0.79 0.28 115.58 113.66 1fd8 h ASN 23 Ca 0.06 0.11 0.06 0.00 0.71 0.00 0.00 56.30 57.23 1fd8 h ASN 23 Cb 0.27 0.12 -0.05 0.00 0.73 0.00 0.00 38.32 39.39 1fd8 h ASN 23 CO -0.15 0.05 0.36 0.11 -1.29 0.00 0.00 177.43 176.52 1fd8 h LYS 24 N 0.33 0.65 -0.94 6.67 1.79 -0.11 0.12 116.57 125.08 1fd8 h LYS 24 Ca 0.34 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.80 1fd8 h LYS 24 Cb 0.50 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.95 1fd8 h LYS 24 CO -0.39 0.43 0.62 0.28 -1.08 0.00 0.00 179.45 179.31 1fd8 h VAL 25 N 0.67 1.18 -0.75 0.50 2.07 0.83 -2.47 116.25 118.28 1fd8 h VAL 25 Ca 0.29 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1fd8 h VAL 25 Cb 0.18 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 1fd8 h VAL 25 CO -0.18 0.22 0.48 -0.07 0.02 0.00 0.00 177.57 178.04 1fd8 h LEU 26 N 1.20 0.88 -1.98 2.57 3.38 0.19 -1.42 115.31 120.13 1fd8 h LEU 26 Ca 0.36 -0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.49 1fd8 h LEU 26 Cb -0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1fd8 h LEU 26 CO -0.10 0.66 0.52 0.74 0.09 0.00 0.00 178.44 180.35 1fd8 h THR 27 N 1.02 0.55 0.09 0.22 2.02 -0.54 0.40 112.91 116.67 1fd8 h THR 27 Ca 0.27 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 67.20 1fd8 h THR 27 Cb -0.09 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1fd8 h THR 27 CO -0.06 0.00 -1.15 0.11 0.37 0.00 0.00 175.52 174.79 1fd8 h LYS 28 N 0.00 0.29 0.00 6.66 6.56 -1.23 -3.34 116.57 125.52 1fd8 h LYS 28 Ca 0.31 -0.44 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 1fd8 h LYS 28 Cb 1.36 0.15 0.00 0.00 -0.57 0.00 0.00 32.23 33.17 1fd8 h LYS 28 CO -0.00 1.17 -0.20 -0.07 -2.06 0.00 0.00 179.45 178.29 1fd8 h LEU 29 N 0.11 0.00 -0.81 2.94 3.38 -0.15 -3.38 115.31 117.39 1fd8 h LEU 29 Ca -0.11 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1fd8 h LEU 29 Cb 1.85 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.49 1fd8 h LEU 29 CO 0.19 0.02 -0.41 -0.62 0.09 0.00 0.00 178.44 177.71 1fd8 n GLU 30 N -2.51 -0.28 -0.92 1.13 1.02 0.57 -0.84 120.64 118.80 1fd8 n GLU 30 Ca 0.04 1.24 -0.22 0.00 -0.02 0.00 0.00 57.16 58.19 1fd8 n GLU 30 Cb 0.47 -1.83 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 1fd8 n GLU 30 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1fd8 n PRO 31 N -5.09 2.38 0.00 3.49 -0.04 -1.26 -2.73 135.00 131.74 1fd8 n PRO 31 Ca 0.05 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1fd8 n PRO 31 Cb 0.26 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1fd8 n PRO 31 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1fd8 n ASP 32 N 3.43 -0.00 -4.76 3.54 -0.08 -0.87 -5.13 116.55 112.68 1fd8 n ASP 32 Ca 0.51 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.42 1fd8 n ASP 32 Cb 0.37 0.09 0.02 0.00 2.34 0.00 0.00 41.12 43.94 1fd8 n ASP 32 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1fd8 s VAL 33 N -2.00 2.62 -0.22 5.18 1.01 -0.02 -4.49 120.40 122.48 1fd8 s VAL 33 Ca 0.00 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.26 1fd8 s VAL 33 Cb 0.00 -3.21 -0.18 0.00 0.00 0.00 0.00 36.38 32.99 1fd8 s VAL 33 CO 0.00 -0.03 0.04 -0.24 0.00 0.00 0.00 175.10 174.87 1fd8 n SER 34 N -0.96 1.93 -3.70 3.32 2.88 0.46 -4.81 113.62 112.74 1fd8 n SER 34 Ca 0.10 0.34 -0.12 0.00 -1.33 0.00 0.00 58.87 57.86 1fd8 n SER 34 Cb 0.47 -0.88 -0.06 0.00 -0.75 0.00 0.00 64.21 62.99 1fd8 n SER 34 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1fd8 s LYS 35 N -2.44 0.91 0.06 -1.46 2.20 -0.92 -5.01 119.74 113.07 1fd8 s LYS 35 Ca -0.31 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 54.80 1fd8 s LYS 35 Cb 0.09 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1fd8 s LYS 35 CO 0.59 -0.31 -0.07 0.96 -0.36 0.00 0.00 175.35 176.16 1fd8 s ILE 36 N -2.85 0.53 -0.09 5.43 -5.25 -1.26 -0.52 121.20 117.19 1fd8 s ILE 36 Ca -0.03 -1.40 -0.18 0.00 -0.99 0.00 0.00 60.65 58.06 1fd8 s ILE 36 Cb 0.00 -0.99 0.04 0.00 2.95 0.00 0.00 42.46 44.46 1fd8 s ILE 36 CO -0.05 -0.60 0.44 -1.81 -1.79 0.00 0.00 174.94 171.13 1fd8 s ASP 37 N -2.14 -0.40 -0.03 4.36 1.01 0.32 -4.99 116.67 114.81 1fd8 s ASP 37 Ca -0.02 0.58 0.01 0.00 0.71 0.00 0.00 52.55 53.83 1fd8 s ASP 37 Cb -0.04 0.64 0.01 0.00 1.01 0.00 0.00 42.92 44.55 1fd8 s ASP 37 CO -0.02 -0.34 -0.04 -0.51 0.21 0.00 0.00 175.17 174.47 1fd8 s ILE 38 N -0.56 0.44 -0.22 0.77 2.07 -1.26 -0.49 121.20 121.94 1fd8 s ILE 38 Ca -0.07 -0.13 -0.04 0.00 -1.41 0.00 0.00 60.65 59.01 1fd8 s ILE 38 Cb -0.03 -0.45 0.07 0.00 0.13 0.00 0.00 42.46 42.18 1fd8 s ILE 38 CO 0.03 0.18 0.09 -0.55 -1.91 0.00 0.00 174.94 172.78 1fd8 s SER 39 N 0.55 2.98 0.05 4.50 0.15 0.54 -5.00 113.70 117.47 1fd8 s SER 39 Ca -0.07 -0.95 -0.27 0.00 0.70 0.00 0.00 55.95 55.36 1fd8 s SER 39 Cb -0.10 -0.43 -0.17 0.00 -1.71 0.00 0.00 66.02 63.61 1fd8 s SER 39 CO -0.00 -0.37 1.48 -0.07 1.20 0.00 0.00 173.24 175.48 1fd8 h LEU 40 N 8.34 -0.39 -0.88 3.45 4.07 -1.89 -0.07 115.31 127.94 1fd8 h LEU 40 Ca -0.16 -0.08 0.11 0.00 0.08 0.00 0.00 57.88 57.83 1fd8 h LEU 40 Cb 1.09 0.10 -0.13 0.00 1.08 0.00 0.00 40.66 42.80 1fd8 h LEU 40 CO 0.36 -0.15 -0.47 -0.33 -1.08 0.00 0.00 178.44 176.77 1fd8 h GLU 41 N -0.62 -0.06 -0.69 1.13 5.08 -1.95 0.51 114.58 117.98 1fd8 h GLU 41 Ca -0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1fd8 h GLU 41 Cb 0.45 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1fd8 h GLU 41 CO 0.08 -0.04 0.08 1.63 -1.00 0.00 0.00 179.01 179.75 1fd8 n LYS 42 N -5.38 4.04 -3.86 2.33 5.02 -1.24 -4.94 118.16 114.14 1fd8 n LYS 42 Ca 0.05 -2.68 -0.24 0.00 -2.02 0.00 0.00 58.31 53.42 1fd8 n LYS 42 Cb 0.34 -2.14 -0.07 0.00 -0.02 0.00 0.00 35.03 33.14 1fd8 n LYS 42 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fd8 n GLN 43 N 0.34 -0.93 -4.06 1.97 1.13 0.17 -4.92 117.38 111.08 1fd8 n GLN 43 Ca 0.27 0.06 -0.07 0.00 -1.94 0.00 0.00 57.00 55.32 1fd8 n GLN 43 Cb 1.12 -2.60 -0.10 0.00 0.11 0.00 0.00 30.24 28.78 1fd8 n GLN 43 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1fd8 s LEU 44 N -6.28 2.34 -0.10 1.08 0.05 -0.08 -2.95 118.68 112.74 1fd8 s LEU 44 Ca 0.02 -0.93 -0.04 0.00 0.05 0.00 0.00 54.13 53.23 1fd8 s LEU 44 Cb -0.01 0.30 0.05 0.00 -2.05 0.00 0.00 46.19 44.48 1fd8 s LEU 44 CO 0.74 -0.60 0.17 -0.69 -0.55 0.00 0.00 176.35 175.42 1fd8 s VAL 45 N -3.80 -0.27 -0.14 1.48 1.01 0.29 -0.34 120.40 118.63 1fd8 s VAL 45 Ca 0.06 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1fd8 s VAL 45 Cb 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1fd8 s VAL 45 CO -0.10 0.11 -0.07 -1.81 0.00 0.00 0.00 175.10 173.23 1fd8 s ASP 46 N 2.30 4.51 -0.03 3.32 1.01 0.35 -0.37 116.67 127.76 1fd8 s ASP 46 Ca 0.03 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.11 1fd8 s ASP 46 Cb -0.12 -1.67 0.02 0.00 1.01 0.00 0.00 42.92 42.16 1fd8 s ASP 46 CO -0.06 0.19 -0.02 -0.69 0.21 0.00 0.00 175.17 174.80 1fd8 s VAL 47 N 0.25 0.30 -0.40 -1.27 1.01 -0.32 -0.52 120.40 119.45 1fd8 s VAL 47 Ca -0.05 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1fd8 s VAL 47 Cb -0.14 -0.37 0.08 0.00 0.00 0.00 0.00 36.38 35.95 1fd8 s VAL 47 CO 0.04 0.17 0.21 -0.31 0.00 0.00 0.00 175.10 175.21 1fd8 s TYR 48 N 0.97 3.39 0.29 5.22 1.51 0.33 -0.30 117.35 128.76 1fd8 s TYR 48 Ca -0.10 -1.79 -0.17 0.00 -1.01 0.00 0.00 57.07 53.99 1fd8 s TYR 48 Cb -0.14 -2.92 0.02 0.00 -0.11 0.00 0.00 41.96 38.81 1fd8 s TYR 48 CO -0.01 -0.87 0.65 -0.08 -1.11 0.00 0.00 175.55 174.13 1fd8 s THR 49 N 1.33 0.00 0.02 -0.71 -1.32 0.31 -0.40 115.64 114.87 1fd8 s THR 49 Ca 0.03 -1.14 -0.17 0.00 -1.21 0.00 0.00 61.69 59.20 1fd8 s THR 49 Cb -0.23 -2.20 -0.35 0.00 -1.51 0.00 0.00 72.50 68.22 1fd8 s THR 49 CO 0.00 0.00 0.99 0.71 -2.21 0.00 0.00 174.62 174.11 1fd8 h THR 50 N 2.08 1.33 -3.68 5.08 1.35 -1.79 0.15 112.91 117.43 1fd8 h THR 50 Ca -0.23 -2.65 -0.54 0.00 -0.55 0.00 0.00 66.41 62.43 1fd8 h THR 50 Cb 1.25 3.06 0.10 0.00 -1.73 0.00 0.00 68.15 70.83 1fd8 h THR 50 CO 0.29 0.79 0.78 0.18 -0.25 0.00 0.00 175.52 177.31 1fd8 n LEU 51 N -3.80 4.55 -4.77 3.87 4.77 -1.26 -4.91 117.00 115.44 1fd8 n LEU 51 Ca -0.16 1.20 -0.37 0.00 -0.03 0.00 0.00 56.01 56.65 1fd8 n LEU 51 Cb 1.05 -1.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.53 1fd8 n LEU 51 CO 0.58 0.10 0.84 -2.16 -1.33 0.00 0.00 177.39 175.42 1fd8 s PRO 52 N -1.63 3.78 0.08 3.23 0.04 -1.26 -4.85 135.00 134.39 1fd8 s PRO 52 Ca 0.56 1.80 -0.16 0.00 0.04 0.00 0.00 61.00 63.25 1fd8 s PRO 52 Cb -0.49 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1fd8 s PRO 52 CO 0.59 -0.54 0.94 0.98 0.04 0.00 0.00 177.00 179.02 1fd8 n TYR 53 N -0.42 -0.22 -0.26 0.56 9.36 -1.26 -0.82 117.16 124.10 1fd8 n TYR 53 Ca 0.07 0.63 0.07 0.00 3.32 0.00 0.00 57.90 61.99 1fd8 n TYR 53 Cb 0.48 -0.50 0.20 0.00 -0.63 0.00 0.00 39.34 38.89 1fd8 n TYR 53 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1fd8 h ASP 54 N 0.00 0.14 -0.32 2.98 5.19 -1.99 -0.12 116.42 122.30 1fd8 h ASP 54 Ca 0.08 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.68 1fd8 h ASP 54 Cb 0.21 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.83 1fd8 h ASP 54 CO -0.47 0.01 0.03 0.15 -3.12 0.00 0.00 179.24 175.83 1fd8 h PHE 55 N 0.34 0.04 -0.14 4.55 3.57 -1.34 -0.45 116.94 123.51 1fd8 h PHE 55 Ca 0.44 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.93 1fd8 h PHE 55 Cb 0.75 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 1fd8 h PHE 55 CO -0.22 -0.02 -0.04 0.82 -2.23 0.00 0.00 178.31 176.63 1fd8 h ILE 56 N 0.13 1.29 -0.41 1.41 1.08 -0.96 0.26 117.51 120.31 1fd8 h ILE 56 Ca 0.15 -0.99 0.09 0.00 -0.39 0.00 0.00 64.86 63.71 1fd8 h ILE 56 Cb 0.19 1.67 -0.09 0.00 -3.07 0.00 0.00 36.82 35.52 1fd8 h ILE 56 CO -0.23 0.29 -0.24 -0.07 -0.69 0.00 0.00 178.15 177.21 1fd8 h LEU 57 N -0.04 -0.80 0.23 1.44 3.38 -0.78 0.11 115.31 118.85 1fd8 h LEU 57 Ca 0.03 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1fd8 h LEU 57 Cb 0.47 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1fd8 h LEU 57 CO 0.01 -0.26 -0.35 -0.33 0.09 0.00 0.00 178.44 177.60 1fd8 h GLU 58 N -0.16 -0.59 -0.84 1.13 4.39 -1.00 -1.68 114.58 115.83 1fd8 h GLU 58 Ca 0.20 0.04 0.20 0.00 0.34 0.00 0.00 59.36 60.13 1fd8 h GLU 58 Cb 0.47 0.13 -0.15 0.00 -0.10 0.00 0.00 28.75 29.10 1fd8 h GLU 58 CO -0.51 -0.39 -0.05 0.87 -1.16 0.00 0.00 179.01 177.77 1fd8 h LYS 59 N -0.61 0.05 0.00 2.33 6.56 -0.26 0.21 116.57 124.85 1fd8 h LYS 59 Ca -0.03 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1fd8 h LYS 59 Cb 0.56 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 1fd8 h LYS 59 CO -0.11 0.03 0.00 -0.89 -2.06 0.00 0.00 179.45 176.43 1fd8 n ILE 60 N -5.44 0.00 -0.15 1.86 5.41 0.31 -3.48 119.36 117.87 1fd8 n ILE 60 Ca 0.16 1.48 0.17 0.00 1.00 0.00 0.00 62.75 65.56 1fd8 n ILE 60 Cb 0.53 -2.48 0.54 0.00 -0.71 0.00 0.00 39.64 37.52 1fd8 n ILE 60 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1fd8 h LYS 61 N 0.00 0.32 -1.10 0.38 2.10 -0.56 -0.93 116.57 116.78 1fd8 h LYS 61 Ca 0.00 -0.02 0.37 0.00 -2.00 0.00 0.00 60.65 59.00 1fd8 h LYS 61 Cb 0.00 -0.07 -0.14 0.00 -0.90 0.00 0.00 32.23 31.12 1fd8 h LYS 61 CO 0.00 0.21 0.66 -0.22 -2.00 0.00 0.00 179.45 178.10 1fd8 h LYS 62 N 0.33 0.20 0.00 0.07 1.63 -0.64 -0.35 116.57 117.81 1fd8 h LYS 62 Ca 0.36 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.14 1fd8 h LYS 62 Cb 0.95 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1fd8 h LYS 62 CO -0.10 0.14 -0.04 1.79 -3.45 0.00 0.00 179.45 177.78 1fd8 h THR 63 N 0.21 0.15 0.00 1.00 1.35 -1.25 -3.47 112.91 110.91 1fd8 h THR 63 Ca 0.76 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1fd8 h THR 63 Cb 2.02 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1fd8 h THR 63 CO -0.54 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.38 1fd8 n GLY 64 N -0.33 2.97 3.63 5.82 0.00 -0.14 -4.98 105.19 112.17 1fd8 n GLY 64 Ca -0.01 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1fd8 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fd8 s LYS 65 N 0.00 0.57 0.38 1.61 -0.14 -1.25 -5.03 119.74 115.87 1fd8 s LYS 65 Ca 0.00 1.15 -0.14 0.00 -1.36 0.00 0.00 55.97 55.62 1fd8 s LYS 65 Cb 0.00 -1.70 -0.08 0.00 -1.68 0.00 0.00 37.83 34.37 1fd8 s LYS 65 CO 0.00 -2.81 0.78 -1.21 -0.76 0.00 0.00 175.35 171.36 1fd8 s GLU 66 N -4.67 3.93 -0.28 1.68 0.41 -1.26 -4.29 118.70 114.21 1fd8 s GLU 66 Ca 0.66 0.65 -0.12 0.00 -0.41 0.00 0.00 54.97 55.75 1fd8 s GLU 66 Cb -0.22 -2.37 -0.05 0.00 -1.78 0.00 0.00 34.13 29.71 1fd8 s GLU 66 CO 0.60 0.03 0.23 0.54 -0.49 0.00 0.00 175.26 176.17 1fd8 s VAL 67 N -2.20 5.28 -0.05 2.63 0.11 -1.26 -1.20 120.40 123.71 1fd8 s VAL 67 Ca 0.54 0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 59.75 1fd8 s VAL 67 Cb -0.10 -3.57 -0.05 0.00 -1.53 0.00 0.00 36.38 31.13 1fd8 s VAL 67 CO 0.24 0.24 0.41 0.03 -3.33 0.00 0.00 175.10 172.68 1fd8 h ARG 68 N 8.28 -0.34 -3.13 1.54 3.08 -0.69 -3.49 114.38 119.64 1fd8 h ARG 68 Ca -0.34 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 1fd8 h ARG 68 Cb 1.18 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1fd8 h ARG 68 CO 0.58 -0.23 0.23 -1.12 -1.07 0.00 0.00 179.97 178.36 1fd8 s SER 69 N -5.04 0.15 0.11 7.04 0.01 -1.20 -5.02 113.70 109.74 1fd8 s SER 69 Ca -0.05 -1.25 -0.18 0.00 1.31 0.00 0.00 55.95 55.78 1fd8 s SER 69 Cb 0.01 0.85 0.06 0.00 0.21 0.00 0.00 66.02 67.14 1fd8 s SER 69 CO 0.15 -1.69 0.85 0.61 0.41 0.00 0.00 173.24 173.58 1fd8 n GLY 70 N -0.55 0.65 3.76 3.44 0.00 -1.26 -0.58 105.19 110.65 1fd8 n GLY 70 Ca -0.08 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1fd8 n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fd8 s LYS 71 N -2.03 1.90 0.14 1.61 -2.85 0.62 -4.97 119.74 114.15 1fd8 s LYS 71 Ca 0.19 -1.25 0.11 0.00 -1.00 0.00 0.00 55.97 54.02 1fd8 s LYS 71 Cb -0.02 0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 1fd8 s LYS 71 CO 0.03 -0.86 -0.26 1.14 0.10 0.00 0.00 175.35 175.50 1fd8 s GLN 72 N -3.35 1.40 0.00 1.78 -2.07 -1.26 -0.92 119.66 115.24 1fd8 s GLN 72 Ca 0.16 -1.36 0.00 0.00 -1.82 0.00 0.00 55.36 52.34 1fd8 s GLN 72 Cb -0.04 -1.87 0.00 0.00 -1.09 0.00 0.00 33.01 30.00 1fd8 s GLN 72 CO 0.10 0.44 0.02 1.28 -1.32 0.00 0.00 175.29 175.81